Geometry & MOs

Info

ID:	30501
PubChem CID:	841420
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-29.66
Dipole, Da:	5.58
IP(EA), eV:	-9.22(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations